tert-butyl N-[(2S,3S)-1-[2-(isoquinolin-1-ylcarbamoyl)pyrazolidin-1-yl]-3-methyl-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S,3S)-1-[2-(isoquinolin-1-ylcarbamoyl)pyrazolidin-1-yl]-3-methyl-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S,2S)-1-[2-(1-isoquinolylcarbamoyl)pyrazolidine-1-carbonyl]-2-methyl-butyl]carbamate CAS Name: N-[(2S,3S)-1-[2-[(1-isoquinolinylamino)-oxomethyl]-1-pyrazolidinyl]-3-methyl-1-oxopentan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S,3S)-1-[2-(isoquinolin-1-ylcarbamoyl)pyrazolidin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamate Traditional Name: N-[(1S,2S)-1-[2-(1-isoquinolylcarbamoyl)pyrazolidine-1-carbonyl]-2-methyl-butyl]carbamic acid tert-butyl ester Formula: C24H33N5O4 MolecularWeight: 455.54992

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCN1C(=O)NC2=NC=CC3=CC=CC=C32)NC(=O)OC(C)(C)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1CCCN1C(=O)NC2=NC=CC3=CC=CC=C32)NC(=O)OC(C)(C)C

InChI

InChI=1S/C24H33N5O4/c1-6-16(2)19(26-23(32)33-24(3,4)5)21(30)28-14-9-15-29(28)22(31)27-20-18-11-8-7-10-17(18)12-13-25-20/h7-8,10-13,16,19H,6,9,14-15H2,1-5H3,(H,26,32)(H,25,27,31)/t16-,19-/m0/s1